General Information of the Compound
| Compound ID |
CP0430804
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| Compound Name |
(R)-1-(4-(5-chloro-4-(2-(methylcarbamoyl)phenylamino)pyrimidin-2-ylamino)-3-methoxyphenyl)piperidine-3-carboxamide
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| Structure |
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| Formula |
C25H28ClN7O3
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| Molecular Weight |
509.998
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| Canonical SMILES |
CNC(=O)c1ccccc1Nc1nc(Nc2ccc(cc2OC)N2CCC[C@H](C2)C(N)=O)ncc1Cl
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| InChI |
InChI=1S/C25H28ClN7O3/c1-28-24(35)17-7-3-4-8-19(17)30-23-18(26)13-29-25(32-23)31-20-10-9-16(12-21(20)36-2)33-11-5-6-15(14-33)22(27)34/h3-4,7-10,12-13,15H,5-6,11,14H2,1-2H3,(H2,27,34)(H,28,35)(H2,29,30,31,32)/t15-/m1/s1
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| InChIKey |
ZGUHXMNVUDIALY-OAHLLOKOSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound